MDAnalysis / pmda

Parallel algorithms for MDAnalysis
https://www.mdanalysis.org/pmda/
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hydrogenbond analysis should check for missing bonds in the same way as the serial code #118

Open orbeckst opened 4 years ago

orbeckst commented 4 years ago

The PMDA version of the new h-bond analysis code

The serial version

in PR https://github.com/MDAnalysis/mdanalysis/pull/2572

This came out of discussion in https://github.com/MDAnalysis/mdanalysis/issues/2396#issuecomment-596251787 and the PMDA version should do the same for performance and consistency.